2-Iodo-3,4-dimethoxybenzoic acid
Basic information
- CAS
6335-18-8- Standard SMILES
COc1ccc(C(=O)O)c(I)c1OC- InChIKey
PWELJXSZVWUHIB-UHFFFAOYSA-N- Molecular formula
- C9H9IO4
- Average molar mass
- 308.07 g/mol
- Monoisotopic mass
- 307.95456
Names & identifiers
- Preferred name
- 2-Iodo-3,4-dimethoxybenzoic acid
- IUPAC
- 2-iodo-3,4-dimethoxybenzoic acid
Names & synonyms
2-iodo-3,4-dimethoxybenzoic acid6335-18-8NSC25375SCHEMBL37802812-iodo-3,4-dimethoxybenzoicacidDTXSID10282299PWELJXSZVWUHIB-UHFFFAOYSA-NNSC-25375
Database identifiers
- CAS
6335-18-8- PubChem CID
- 230458
- DTXSID
DTXSID10282299- Nikkaji
- J2.644.759C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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